Information card for entry 4070601

Structure parameters

• Formula: C13.5 H18 B I2 N6 O0.5 Pt S3
• Calculated formula: C13.5 H18 B I2 N6 O0.5 Pt S3
• Title of publication: Retention of Pt→B Bonding in Oxidative Addition Reactions of the Platinaboratrane [Pt(PPh3){B(mt)3}](Pt→B)10(mt = Methimazolyl)
• Authors of publication: Crossley, Ian R.; Hill, Anthony F.; Willis, Anthony C.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 3
• Pages of publication: 312
• a: 9.8899 ± 0.0002 Å
• b: 20.0454 ± 0.0004 Å
• c: 11.3937 ± 0.0002 Å
• α: 90°
• β: 99.5623 ± 0.0011°
• γ: 90°
• Cell volume: 2227.38 ± 0.07 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for all reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0162
• Weighted residual factors for all reflections included in the refinement: 0.0162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No